2-[[6-chloranyl-2-methyl-4-(4-nitrophenoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-chloranyl-2-methyl-4-(4-nitrophenoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-chloro-2-methyl-4-(4-nitrophenoxy)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-chloro-2-methyl-4-(4-nitrophenoxy)-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-chloro-2-methyl-4-(4-nitrophenoxy)-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-chloro-1-keto-2-methyl-4-(4-nitrophenoxy)-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C25H16ClN3O6 MolecularWeight: 489.86404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H16ClN3O6/c1-27-21(13-28-24(31)17-4-2-3-5-18(17)25(28)32)22(20-12-14(26)6-11-19(20)23(27)30)35-16-9-7-15(8-10-16)29(33)34/h2-12H,13H2,1H3